551774

Source:http://linkedlifedata.com/resource/chembl/compound/551774

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:664124
chemicalCompound:standardIn...	InChI=1S/C6H10N2S.BrH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3,7H2,1H3;1H
chemicalCompound:standardIn...	MEVJJMAHAHRXDC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.Cc1ncsc1CCN
chemicalCompound:molecularF...	C6H11BrN2S
chemicalCompound:moleculeId	551774
chemicalCompound:mwFreebase	142.222
chemicalCompound:alogp	0
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	67.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.142
chemicalCompound:acdLogD	-1.709
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	223.134
chemicalCompound:acdMostBpk...	9.252
chemicalCompound:chemblId	CHEMBL540311
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:651774
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1097177, activity:1097178, activity:1097179